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28920-63-0 | Propanedioic acid, 2-(4-methyl-1-piperazinyl)-, 1,3-diethyl ester
CAS No: 28920-63-0 Catalog No: AG002X2W MDL No:
Product Description
Catalog Number:
AG002X2W
Chemical Name:
Propanedioic acid, 2-(4-methyl-1-piperazinyl)-, 1,3-diethyl ester
CAS Number:
28920-63-0
Molecular Formula:
C12H22N2O4
Molecular Weight:
258.3141
IUPAC Name:
diethyl 2-(4-methylpiperazin-1-yl)propanedioate
InChI:
InChI=1S/C12H22N2O4/c1-4-17-11(15)10(12(16)18-5-2)14-8-6-13(3)7-9-14/h10H,4-9H2,1-3H3
InChI Key:
ZPZXWIMJTOZCFL-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(C(=O)OCC)N1CCN(CC1)C
Properties
Complexity:
270
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.158g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
258.318g/mol
Monoisotopic Mass:
258.158g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
59.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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